Account N-(3-Oxo-1-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)-6,9,12-trioxa-2-azatetradecan-14-yl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
- Catalog No. :
- ACCAIN852
- CAS No. :
- 2845211-64-3
- Molecular Formula :
- C28H39F3N6O6S
- Molecular Weight :
- 644.72
IUPAC Name:N-(3-oxo-1-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)-6,9,12-trioxa-2-azatetradecan-14-yl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide
![N-(3-Oxo-1-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)-6,9,12-trioxa-2-azatetradecan-14-yl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | N-(3-Oxo-1-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)-6,9,12-trioxa-2-azatetradecan-14-yl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide |
|---|---|
| IUPAC Name | N-(3-oxo-1-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)-6,9,12-trioxa-2-azatetradecan-14-yl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide |
| Molecular Formula | C28H39F3N6O6S |
| Molecular Weight | 644.72 |
| SMILES | C(F)(F)(F)C1(N=N1)C2=CC=C(CNC(CCOCCOCCOCCNC(CCCC[C@H]3[C@@]4([C@](CS3)(NC(=O)N4)[H])[H])=O)=O)C=C2 |
| InChI Key | DYDRORMEQWOQIZ-HWBMXIPRSA-N |
| Synonym | Biotin-PEG3-CONH-Ph-CF3-diazirine;rac-N-(3-oxo-1-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)-6,9,12-trioxa-2-azatetradecan-14-yl)-5-((3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide;N-(3-Oxo-1-(4-(3-(trifluoromethyl)-3H-diazirin-3-yl)phenyl)-6,9,12-trioxa-2-azatetradecan-14-yl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide;4,7,10-Trioxa-13-azaoctadecanamide, 18-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-14-oxo-N-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl]methyl]- |
| CAS No. | 2845211-64-3 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H228-H314
- Precautionary Statement(s)
- P210-P240-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P233-P501
Synthetic Route by SureRoute
2. ACCAIN852 Molecular Building Block Synthetic Route
2-(2-(2-(2-(5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethoxy)ethoxy)ethoxy)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoic acid
2-((10,17-Dioxo-21-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-3,6-dioxa-9,16-diazahenicosyl)oxy)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoic acid
tert-Butyl ((2-(2-(2-(2-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)ethoxy)ethoxy)ethoxy)-4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzyl)oxy)carbamate